N-(4-carbamoylphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide

C16H16N4O4 — CID 90511610

IUPACN-(4-carbamoylphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)Nc3ccc(C(N)=O)cc3)C2)no1
InChIInChI=1S/C16H16N4O4/c1-9-6-13(19-24-9)16(23)20-7-11(8-20)15(22)18-12-4-2-10(3-5-12)14(17)21/h2-6,11H,7-8H2,1H3,(H2,17,21)(H,18,22)
InChIKeyBBFRNDXMNQWQLN-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.79
Rot. Bonds4

About N-(4-carbamoylphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide

N-(4-carbamoylphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide (PubChem CID 90511610) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
PubChem CID90511610
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC NameN-(4-carbamoylphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
SMILESCc1cc(C(=O)N2CC(C(=O)Nc3ccc(C(N)=O)cc3)C2)no1
InChIInChI=1S/C16H16N4O4/c1-9-6-13(19-24-9)16(23)20-7-11(8-20)15(22)18-12-4-2-10(3-5-12)14(17)21/h2-6,11H,7-8H2,1H3,(H2,17,21)(H,18,22)
InChIKeyBBFRNDXMNQWQLN-UHFFFAOYSA-N
XLogP0.79
TPSA118.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-anilinophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511611
N-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511441
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-propan-2-ylphenyl)azetidine-3-carboxamide
CID 90511421
N-(3,5-dichlorophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511531
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511491
N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511577
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511602
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
CID 71785278
1-(1,3-benzodioxole-5-carbonyl)-N-(4-carbamoylphenyl)azetidine-3-carboxamide
CID 90512981
N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511383
(3S)-N-[4-(3-fluorophenyl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 26334195
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(2-oxochromen-3-yl)azetidine-3-carboxamide
CID 90511291

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide (CID 90511610) is N-(4-carbamoylphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide is Cc1cc(C(=O)N2CC(C(=O)Nc3ccc(C(N)=O)cc3)C2)no1.
What is the InChIKey of N-(4-carbamoylphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
The InChIKey is BBFRNDXMNQWQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-9-6-13(19-24-9)16(23)20-7-11(8-20)15(22)18-12-4-2-10(3-5-12)14(17)21/h2-6,11H,7-8H2,1H3,(H2,17,21)(H,18,22).
What are the key properties of N-(4-carbamoylphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide?
N-(4-carbamoylphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 90511610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).